3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

C16H11FN2OS — CID 8795595

IUPAC3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cccc(F)c1
InChIInChI=1S/C16H11FN2OS/c17-13-3-1-2-12(10-13)15(20)19-14-6-4-11(5-7-14)16-18-8-9-21-16/h1-10H,(H,19,20)
InChIKeyZCWMZVHNMJJUHL-UHFFFAOYSA-N
MW298.34 g/mol
LogP4.20
Rot. Bonds3

About 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide

3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (PubChem CID 8795595) has the molecular formula C16H11FN2OS and a molecular weight of 298.34 g/mol. Its IUPAC name is 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.

Molecular Properties

Compound Name3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
PubChem CID8795595
Molecular FormulaC16H11FN2OS
Molecular Weight298.34 g/mol
Exact Mass298.06
IUPAC Name3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
SMILESO=C(Nc1ccc(-c2nccs2)cc1)c1cccc(F)c1
InChIInChI=1S/C16H11FN2OS/c17-13-3-1-2-12(10-13)15(20)19-14-6-4-11(5-7-14)16-18-8-9-21-16/h1-10H,(H,19,20)
InChIKeyZCWMZVHNMJJUHL-UHFFFAOYSA-N
XLogP4.20
TPSA41.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.34
LogP ≤ 54.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-cyano-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795282
2,5-difluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 17487764
3-(dimethylsulfamoyl)-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 8795483
methyl 2-[3-[[4-(1,3-thiazol-2-yl)phenyl]carbamoyl]phenoxy]acetate
CID 55875358
4-amino-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 60926943
2-chloro-N-[4-(1,3-thiazol-2-yl)phenyl]quinoline-6-carboxamide
CID 55823361
3-[(3-chlorophenyl)sulfamoyl]-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 24648789
3-bromo-4-methoxy-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 28544978
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(1,3-thiazol-2-yl)benzamide
CID 110372177
2,4,6-trimethyl-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide
CID 84534803
3-fluoro-N-[4-(hydroxycarbamoyl)phenyl]benzamide
CID 90480202
2,4-difluoro-N-[4-oxo-4-[4-(1,3-thiazol-2-yl)anilino]butyl]benzamide
CID 24648849

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The IUPAC name of 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide (CID 8795595) is 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide.
What is the SMILES notation for 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The canonical SMILES for 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is O=C(Nc1ccc(-c2nccs2)cc1)c1cccc(F)c1.
What is the InChIKey of 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
The InChIKey is ZCWMZVHNMJJUHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN2OS/c17-13-3-1-2-12(10-13)15(20)19-14-6-4-11(5-7-14)16-18-8-9-21-16/h1-10H,(H,19,20).
What are the key properties of 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide?
3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide has a molecular weight of 298.34 g/mol, XLogP of 4.20, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-N-[4-(1,3-thiazol-2-yl)phenyl]benzamide is sourced from PubChem (CID 8795595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).